| SpectraBase Compound ID | 7m0dIDWGV6p |
|---|---|
| InChI | InChI=1S/C16H17NO4S/c1-20-11-5-6-12(14(10-11)21-2)17-16(19)8-7-13(18)15-4-3-9-22-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,19) |
| InChIKey | NGTHLVRRKMRLLK-UHFFFAOYSA-N |
| Mol Weight | 319.38 g/mol |
| Molecular Formula | C16H17NO4S |
| Exact Mass | 319.087829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HYLrV5XQ6oe |
|---|---|
| Name | N-(2,4-Dimethoxyphenyl)-4-keto-4-(2-thienyl)butyramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.087829201 u |
| Formula | C16H17NO4S |
| InChI | InChI=1S/C16H17NO4S/c1-20-11-5-6-12(14(10-11)21-2)17-16(19)8-7-13(18)15-4-3-9-22-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,19) |
| InChIKey | NGTHLVRRKMRLLK-UHFFFAOYSA-N |
| Molecular Weight | 319.375 g/mol |
| SMILES | C=1(SC=CC1)C(=O)CCC(NC=1C(=CC(=CC1)OC)OC)=O |